Geometry & MOs

Info

ID:	148730
PubChem CID:	53788399
Reduced:	O3N7C31H33 (1)
Stoich.:	A3B7C31D33 (1)
Weight, g/mol:	186.040483
ΔH_f, kcal/mol:	9.37
Dipole, Da:	2.35
IP(EA), eV:	-8.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6-trifluoro-1-methylbenzimidazole

Drug info:

PubChemData

Smile

CCCCC1=CN(C(=O)N1CC2=NC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=C(C=CC=C5C(C)(C)C)C(=O)O

DOS

IR

Vibrations